Benzene, 1-(1-ethylpropyl)-4-methyl-
Basic information
- CAS
22975-58-2- Standard SMILES
CCC(CC)c1ccc(C)cc1- InChIKey
HFPPJNVUPMBSBN-UHFFFAOYSA-N- Molecular formula
- C12H18
- Average molar mass
- 162.27 g/mol
- Monoisotopic mass
- 162.14085057
Names & identifiers
- Preferred name
- Benzene, 1-(1-ethylpropyl)-4-methyl-
- IUPAC
- 1-methyl-4-pentan-3-ylbenzene
- English name
- 1-(1-Ethyl-propyl)-4-methyl-benzene
- Molecular formula
- C12H18
- Molecular weight
- 162.27
Names & synonyms
22975-58-2Benzene, 1-(1-ethylpropyl)-4-methyl-1-methyl-4-pentan-3-ylbenzene1-Methyl-4-(pentan-3-yl)benzeneToluene, p-(1-ethylpropyl)-P-(1-ETHYLPROPYL)TOLUENE1-(1-Ethylpropyl)-4-methylbenzeneBenzene,1-(1-ethylpropyl)-4-methyl-3-(4-Tolyl)-pentaneSCHEMBL3989195SCHEMBL3989199DTXSID70945676
Show more names
3-(p-Tolyl)pentane1-Methyl-4-(pentane-3-yl)benzene1-(1-Ethyl-propyl)-4-methyl-benzene
HFPPJNVUPMBSBN-UHFFFAOYSA-N1-methyl-4-(1-ethylpropyl)benzeneAKOS006291589
Database identifiers
- CAS
22975-58-2- PubChem CID
- 31591
- DTXSID
DTXSID70945676- Nikkaji
- J113.052H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 105
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 205 °C · 205 °C
- Density
- 0.859 · 0.859±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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